Reactivity of Alkyldibenzothiophenes Using Theoretical Descriptors

Table 3

Molecular electrostatic potential mapped at the electronic density isosurface for DBT and its methyl, dimethyl, and trimethyl derivatives. Blue areas represent regions where a proton would feel repulsion while in red areas a proton would feel attraction. DBT, 3-MDBT, and 4-MDBT are also plotted for comparison.

	𝑥,3,6-TMDBT	𝑥,3,7-TMDBT	𝑥,4,6-TMDBT	𝑥,4,7-TMDBT
DMDBT; 𝑥=0
𝑥=1
𝑥=2
𝑥=3
4-MDBT			3-MDBT
DBT